1-(Bromomethyl)-2-(trifluoromethyl)benzene

HCID 123057CAS 395-44-8

기본 정보

표준 SMILES
FC(F)(F)c1ccccc1CBr
InChIKey
TXVVVEUSVBLDED-UHFFFAOYSA-N
분자식
C8H6BrF3
평균 분자량
239.03 g/mol
단동위원소 질량
237.96049695

이름 및 식별자

우선 이름
1-(Bromomethyl)-2-(trifluoromethyl)benzene
IUPAC
1-(bromomethyl)-2-(trifluoromethyl)benzene
영어명
2-(Trifluoromethyl)benzyl bromide
분자식
C8H6BrF3
분자량
239.03

이름 및 동의어

395-44-81-(Bromomethyl)-2-(trifluoromethyl)benzene2-Trifluoromethylbenzyl bromideEINECS 206-901-7DTXSID70192643RefChem:427219DTXCID10115134206-901-72-(Trifluoromethyl)benzyl bromide2-(trifluoromethyl)benzylbromideo-Trifluoromethylbenzyl bromideMFCD00013558
이름 더 보기
TIMTEC-BB SBB006692TrifluoroMethyl)benzyl broMia'-Bromo-a,a,a-trifluoro-o-xyleneO-(TRIFLUOROMETHYL)BENZYL BROMIDEà'-bromo-à,à,à-trifluoro-o-xyleneα′-Bromo-α,α,α-trifluoro-o-xylene2-(Trifluoromethyl)benzylbromide98%
Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-2-(bromomethyl)-1-(trifluoromethyl)benzeneSCHEMBL45272-trifluoromethylbenzylbromide2-trifluoromethyl-benzylbromide2-(Bromomethyl)benzotrifluoride2-trifluoromethyl benzyl bromide2-trifluoromethyl-benzyl bromide

데이터베이스 식별자

CAS
395-44-8
PubChem CID
123057
DTXSID
DTXSID70192643
EC Number
206-901-7
Nikkaji
J213.634A

물성

구조 계산 물성

XLogP
3.4
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
12

물리화학적 성질

녹는점
34 · 34-35 °C
끓는 점
72 °C · 72 °C (7.5 mmHg)
밀도
1.571 g/mL · 1.571 g/mL at 25 °C(lit.)
굴절률
1.496 · 1.496-1.499
인화점
83 °C · 83 °C
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk
3
ridadr
1760
HS 번호
29039990
risk_code
34
hazard_code
C,Xi
safety_code
45-36/37/39-25-26

화학 및 산업

응용 분야

용도2-(Trifluoromethyl)benzyl bromide may be used in chemical synthesis.

제조 방법 · 1건

A solution of 30 ml of phosphorus tribromide in 60 ml of absolute toluene was added dropwise at 20°-30° C. to a solution of 14 g of o-trifluoromethylbenzyl alcohol in 80 ml of absolute toluene. Subsequently, the reaction mixture was stirred at room temperature for 2 hours, the toluene was distilled under reduced pressure, the residue was dissolved in methylene chloride, treated with water and the mixture was adjusted to pH 8.0 with potassium hydrogen carbonate. The aqueous phase was extracted three times with CH2Cl2 and the organic phases were washed twice with water and once with saturated NaCl solution, dried over Na2 SO4 and evaporated under reduced pressure. 2-(Trifluoromethyl)benzyl bromide was obtained as the residue.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

관련 반응

179건

연결된 노트

불러오는 중…